3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide

C20H26N2OS — CID 118726219

IUPAC3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(CCc2ccccc2)s1
InChIInChI=1S/C20H26N2OS/c23-19(14-12-17-9-5-2-6-10-17)22-20-21-15-18(24-20)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,21,22,23)
InChIKeyFBJBWVRGOGNNEX-UHFFFAOYSA-N
MW342.51 g/mol
LogP5.23
Rot. Bonds7

About 3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide

3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 118726219) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID118726219
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(CCc2ccccc2)s1
InChIInChI=1S/C20H26N2OS/c23-19(14-12-17-9-5-2-6-10-17)22-20-21-15-18(24-20)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,21,22,23)
InChIKeyFBJBWVRGOGNNEX-UHFFFAOYSA-N
XLogP5.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide (CID 118726219) is 3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCC1CCCCC1)Nc1ncc(CCc2ccccc2)s1.
What is the InChIKey of 3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is FBJBWVRGOGNNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c23-19(14-12-17-9-5-2-6-10-17)22-20-21-15-18(24-20)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,21,22,23).
What are the key properties of 3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide?
3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 342.51 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 118726219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).